SCHEMBL4837263

SCHEMBL4837263

CCOC(=O)/C(O)=C(\C)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.50
ALDH1A1 P00352 6/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EGLN1 Q9GZT9 1/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
TRPA1 O75762 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4837267 1.00 GLO1 (0.50) GLO1ALDH1A1LMNAHSD17B10EGLN1
SCHEMBL8944831 0.88 ALDH1A1 (0.48) GLO1ALDH1A1LMNAHSD17B10EGLN1
SCHEMBL14186860 0.88 ALDH1A1 (0.48) GLO1ALDH1A1LMNAHSD17B10EGLN1
SCHEMBL12600412 0.86 ALDH1A1 (0.46) GLO1ALDH1A1LMNAHSD17B10EGLN1
SCHEMBL5496037 0.82 ALDH1A1 (0.53) GLO1ALDH1A1LMNAHSD17B10EGLN1
SCHEMBL28166960 0.80 ALDH1A1 (0.50) GLO1ALDH1A1LMNAHSD17B10EGLN1
SCHEMBL4456094 0.80 ALDH1A1 (0.50) GLO1ALDH1A1LMNAHSD17B10EGLN1
SCHEMBL26663491 0.80 ALDH1A1 (0.50) GLO1ALDH1A1LMNAHSD17B10EGLN1
SCHEMBL15962409 0.80 ALDH1A1 (0.50) GLO1ALDH1A1LMNAHSD17B10EGLN1
Ethyl Pyruvate SCHEMBL28039252 0.79 GLO1 (0.58) GLO1ALDH1A1LMNAHSD17B10EGLN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298055-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-20150050592-A1 TONER FOR ELECTROSTATIC CHARGE IMAGE DEVELOPMENT, METHOD OF MANUFACTURING THE SAME, AND IMAGE FORMING METHOD Konica Minolta, Inc. (JP) 2015-02-19 US disclosed
US-20120231385-A1 ELECTROPHOTOGRAPHIC TONER SET KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-09-13 US disclosed
US-7420087-B2 Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-09-02 US disclosed
US-7420087-B2 Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-09-02 US disclosed
US-7420087-B2 Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-09-02 US disclosed
US-20060205817-A1 Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof UNIVERSITE LOUIS PASTEUR (FR) 2006-09-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060205817-A1 Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof CYP4F11, CYP2F1, CYP2S1 GLO1 533/4885ALDH1A1 893/4885LMNA 989/4885
US-20170298055-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, PRKG2 GLO1 1590/4885ALDH1A1 1921/4885LMNA 3591/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.